==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 09-DEC-11 3V17 . COMPND 2 MOLECULE: ALPHA-KETOGLUTARATE-DEPENDENT TAURINE DIOXYGENASE . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR S.H.KNAUER,H.DOBBEK . 1104 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 45027.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 735 66.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 1.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 249 22.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 83 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 102 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 224 20.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 0 0 8 4 0 1 0 0 3 6 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 9 2 8 17 11 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 4 4 0 0 0 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 2 A S 0 0 129 0, 0.0 2,-0.5 0, 0.0 15,-0.1 0.000 360.0 360.0 360.0 12.8 -52.1 -0.5 19.2 2 3 A L - 0 0 41 13,-0.1 2,-0.5 1,-0.0 15,-0.2 -0.572 360.0-162.7 -65.3 118.4 -50.4 2.9 19.5 3 4 A T E -A 16 0A 66 13,-3.1 13,-1.8 -2,-0.5 2,-0.6 -0.933 14.5-164.0-118.5 128.2 -52.8 5.2 17.6 4 5 A I E -A 15 0A 55 -2,-0.5 11,-0.2 11,-0.2 -2,-0.0 -0.933 7.1-175.9-111.2 117.2 -52.1 8.7 16.3 5 6 A T E -A 14 0A 71 9,-3.3 9,-3.2 -2,-0.6 -2,-0.0 -0.901 20.2-138.6-117.6 104.2 -55.1 10.8 15.4 6 7 A P E -A 13 0A 44 0, 0.0 7,-0.3 0, 0.0 6,-0.1 -0.297 11.2-165.1 -59.0 140.7 -54.3 14.2 13.9 7 8 A L - 0 0 8 5,-2.9 944,-0.6 1,-0.4 6,-0.2 0.739 68.4 -4.5-100.1 -31.8 -56.5 17.1 15.2 8 9 A S - 0 0 3 4,-1.0 -1,-0.4 3,-0.2 3,-0.1 -0.977 66.5-112.1-160.0 155.2 -55.7 19.7 12.6 9 10 A P S S+ 0 0 54 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.836 113.4 50.6 -57.2 -39.5 -53.5 20.2 9.5 10 11 A A S S- 0 0 14 1,-0.3 2,-0.3 220,-0.2 120,-0.3 0.899 126.6 -40.0 -70.8 -41.7 -51.3 22.9 11.2 11 12 A L S S+ 0 0 2 221,-0.1 -1,-0.3 1,-0.1 29,-0.2 -0.975 84.1 79.6-174.9 163.4 -50.5 21.0 14.4 12 13 A G - 0 0 0 27,-2.6 -5,-2.9 -2,-0.3 -4,-1.0 0.423 31.9-171.4 99.0 130.6 -51.9 18.7 17.1 13 14 A A E -Ab 6 42A 0 28,-1.7 30,-2.4 -7,-0.3 2,-0.4 -0.990 17.6-133.6-150.4 147.6 -52.5 15.0 17.4 14 15 A Q E -Ab 5 43A 57 -9,-3.2 -9,-3.3 -2,-0.3 2,-0.4 -0.850 20.0-155.5-103.1 140.2 -54.2 12.7 19.9 15 16 A I E +A 4 0A 3 28,-3.2 30,-0.4 -2,-0.4 2,-0.3 -0.940 19.5 158.8-118.6 135.8 -52.6 9.5 21.1 16 17 A S E +A 3 0A 57 -13,-1.8 -13,-3.1 -2,-0.4 3,-0.1 -0.918 46.0 61.1-143.8 172.6 -54.2 6.3 22.5 17 18 A G S S+ 0 0 42 -2,-0.3 2,-0.3 -15,-0.2 -1,-0.1 0.721 87.3 94.4 80.2 22.0 -53.5 2.6 23.0 18 19 A V - 0 0 13 -3,-0.1 2,-1.0 -15,-0.1 -1,-0.2 -0.946 64.3-146.5-148.8 125.8 -50.5 3.3 25.2 19 20 A D > - 0 0 68 -2,-0.3 3,-1.4 1,-0.1 28,-0.1 -0.770 14.6-177.3 -92.8 98.0 -50.2 3.5 29.0 20 21 A I T 3 S+ 0 0 1 -2,-1.0 -1,-0.1 1,-0.3 4,-0.1 0.396 72.9 80.7 -80.7 5.3 -47.5 6.1 29.6 21 22 A S T 3 S+ 0 0 18 27,-0.1 2,-0.3 2,-0.1 -1,-0.3 0.456 96.6 54.6 -82.0 -2.4 -47.8 5.5 33.4 22 23 A R S < S- 0 0 173 -3,-1.4 2,-0.2 27,-0.0 0, 0.0 -0.868 108.9 -79.8-124.1 160.7 -45.6 2.5 32.6 23 24 A D - 0 0 110 -2,-0.3 2,-0.3 1,-0.1 -4,-0.1 -0.435 51.6-142.5 -58.1 122.7 -42.2 2.2 30.9 24 25 A I - 0 0 7 -2,-0.2 -1,-0.1 -4,-0.1 -4,-0.0 -0.650 17.0-106.0 -91.7 148.8 -42.9 2.2 27.2 25 26 A S > - 0 0 50 -2,-0.3 4,-2.4 1,-0.1 5,-0.1 -0.084 31.6-106.0 -62.5 168.5 -41.0 0.1 24.7 26 27 A A H > S+ 0 0 55 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.926 121.8 52.2 -61.2 -45.3 -38.4 1.5 22.3 27 28 A E H > S+ 0 0 144 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.914 110.7 46.7 -58.8 -46.4 -40.8 1.2 19.4 28 29 A E H > S+ 0 0 58 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.931 111.7 51.5 -62.0 -45.8 -43.6 3.1 21.3 29 30 A R H X S+ 0 0 56 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.942 113.2 44.4 -55.0 -50.7 -41.1 5.8 22.4 30 31 A D H X S+ 0 0 77 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.818 109.0 57.2 -66.9 -31.5 -39.9 6.3 18.8 31 32 A A H X S+ 0 0 39 -4,-2.1 4,-1.6 -5,-0.2 -1,-0.2 0.870 110.8 44.2 -64.0 -37.4 -43.5 6.3 17.5 32 33 A I H X S+ 0 0 2 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.838 108.6 56.5 -77.4 -34.8 -44.3 9.2 19.8 33 34 A E H X S+ 0 0 21 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.911 109.3 47.3 -61.1 -42.1 -41.1 11.0 19.0 34 35 A Q H X S+ 0 0 106 -4,-2.0 4,-1.8 2,-0.2 5,-0.2 0.915 110.0 52.1 -65.6 -43.3 -42.1 11.0 15.3 35 36 A A H X>S+ 0 0 6 -4,-1.6 4,-3.7 1,-0.2 5,-0.5 0.905 110.4 49.5 -59.8 -41.5 -45.6 12.1 16.2 36 37 A L H X5S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.919 110.1 49.9 -61.2 -45.1 -44.0 15.0 18.1 37 38 A L H <5S+ 0 0 22 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.766 121.4 36.0 -68.1 -24.6 -41.8 15.9 15.2 38 39 A Q H <5S+ 0 0 107 -4,-1.8 -2,-0.2 -5,-0.1 -3,-0.2 0.892 131.3 25.3 -89.8 -49.5 -44.8 15.9 12.9 39 40 A H H <5S- 0 0 29 -4,-3.7 -27,-2.6 -5,-0.2 2,-1.5 0.615 81.9-152.0-100.4 -15.9 -47.6 17.2 15.0 40 41 A Q S < - 0 0 66 -2,-0.3 4,-2.6 -29,-0.1 5,-0.2 -0.489 37.7-101.5 -89.2 167.2 -48.1 10.2 39.2 51 52 A P H > S+ 0 0 23 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.851 122.0 53.3 -59.4 -34.8 -45.1 12.6 39.2 52 53 A E H > S+ 0 0 98 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.920 113.6 42.2 -64.5 -44.4 -42.6 9.7 39.4 53 54 A Q H > S+ 0 0 46 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.817 112.4 55.2 -70.3 -32.7 -44.2 8.1 36.3 54 55 A Q H X S+ 0 0 2 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.880 110.1 45.8 -68.3 -38.3 -44.5 11.4 34.6 55 56 A A H X S+ 0 0 6 -4,-2.2 4,-2.4 -5,-0.2 -2,-0.2 0.902 109.8 53.8 -69.2 -42.4 -40.7 12.0 35.0 56 57 A R H < S+ 0 0 71 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.814 112.7 45.8 -63.1 -29.8 -39.8 8.5 33.9 57 58 A F H >< S+ 0 0 6 -4,-1.4 3,-1.3 2,-0.2 -2,-0.2 0.925 112.8 46.9 -76.9 -48.1 -41.9 9.2 30.7 58 59 A A H >< S+ 0 0 0 -4,-2.2 3,-2.2 1,-0.3 -2,-0.2 0.860 102.3 64.9 -63.8 -36.2 -40.5 12.7 29.9 59 60 A A G >< S+ 0 0 52 -4,-2.4 3,-0.7 1,-0.3 -1,-0.3 0.625 88.3 71.0 -64.7 -12.6 -36.9 11.6 30.5 60 61 A R G < S+ 0 0 78 -3,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.625 100.6 45.8 -75.3 -13.7 -37.3 9.3 27.4 61 62 A F G < S- 0 0 7 -3,-2.2 2,-0.2 1,-0.4 -1,-0.2 0.205 129.6 -43.8-117.3 14.6 -37.4 12.3 25.2 62 63 A G S < S- 0 0 24 -3,-0.7 -1,-0.4 -4,-0.1 2,-0.2 -0.770 81.2 -46.7 143.1 172.4 -34.4 14.3 26.6 63 64 A D - 0 0 130 -2,-0.2 208,-3.1 208,-0.2 2,-0.3 -0.485 58.2-121.7 -74.9 141.9 -32.8 15.3 29.9 64 65 A L B -D 270 0A 13 206,-0.2 2,-0.6 -2,-0.2 206,-0.2 -0.612 18.1-115.5 -90.1 141.2 -35.1 16.8 32.6 65 66 A H - 0 0 88 204,-2.7 2,-0.3 -2,-0.3 204,-0.3 -0.621 31.7-143.0 -72.2 117.2 -34.8 20.2 34.1 66 67 A I + 0 0 102 -2,-0.6 12,-0.2 2,-0.0 -1,-0.0 -0.666 25.4 172.6 -84.6 137.7 -34.0 19.8 37.8 67 68 A H + 0 0 11 10,-2.0 12,-0.1 -2,-0.3 -2,-0.0 -0.963 27.8 162.6-148.8 124.1 -35.5 22.3 40.2 68 69 A P S S+ 0 0 96 0, 0.0 4,-0.2 0, 0.0 -1,-0.1 0.396 80.6 64.7-109.0 -2.5 -35.7 22.5 44.0 69 70 A I S S+ 0 0 136 8,-0.1 3,-0.1 2,-0.1 -2,-0.1 0.855 90.7 63.4 -90.0 -39.7 -36.6 26.2 43.9 70 71 A Y S S- 0 0 126 1,-0.1 2,-0.4 7,-0.1 11,-0.1 -0.421 110.7 -64.1 -87.1 162.4 -40.1 26.2 42.3 71 72 A P S S+ 0 0 48 0, 0.0 10,-2.8 0, 0.0 2,-0.2 -0.234 76.0 177.7 -47.0 100.6 -43.3 24.6 43.6 72 73 A N E -E 80 0A 60 -2,-0.4 8,-0.2 8,-0.3 3,-0.1 -0.657 43.9-112.8-112.7 160.0 -42.2 21.0 43.5 73 74 A V E > -E 76 0A 27 6,-1.6 3,-0.7 3,-0.9 6,-0.3 -0.873 39.5-135.3 -83.2 115.1 -43.4 17.5 44.3 74 75 A P T 3 S+ 0 0 113 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.822 100.5 46.5 -44.1 -48.5 -41.0 16.8 47.2 75 76 A D T 3 S+ 0 0 144 1,-0.2 -2,-0.0 -3,-0.1 -3,-0.0 0.882 119.8 40.3 -64.4 -40.3 -40.1 13.2 46.0 76 77 A T E X +E 73 0A 11 -3,-0.7 3,-1.4 3,-0.1 -3,-0.9 -0.872 55.8 179.8-118.7 100.0 -39.6 14.3 42.4 77 78 A P E 3 S+ 0 0 41 0, 0.0 -10,-2.0 0, 0.0 -7,-0.1 0.280 82.7 71.5 -75.9 11.0 -37.8 17.7 41.8 78 79 A Q E 3 S+ 0 0 65 -12,-0.2 2,-0.5 -5,-0.2 191,-0.5 0.554 89.9 65.0 -99.5 -14.3 -38.3 16.9 38.1 79 80 A V E < S- 0 0 0 -3,-1.4 -6,-1.6 -6,-0.3 2,-0.4 -0.950 73.4-150.7-115.4 128.2 -42.0 17.5 38.2 80 81 A L E -EF 72 267A 14 187,-4.0 187,-3.2 -2,-0.5 2,-0.6 -0.802 9.1-138.3-100.4 131.4 -43.3 21.0 39.0 81 82 A V E - F 0 266A 30 -10,-2.8 2,-0.7 -2,-0.4 185,-0.2 -0.796 11.8-162.6 -90.4 121.9 -46.7 21.5 40.7 82 83 A L E + F 0 265A 34 183,-3.6 183,-2.5 -2,-0.6 2,-0.5 -0.889 17.6 171.2-105.0 105.0 -48.8 24.3 39.2 83 84 A D E >> - F 0 264A 16 -2,-0.7 4,-3.6 181,-0.2 3,-1.7 -0.955 29.4-158.8-122.4 117.5 -51.5 25.3 41.8 84 85 A T T 34 S+ 0 0 36 179,-1.9 -1,-0.1 -2,-0.5 180,-0.1 0.694 96.9 62.0 -66.1 -18.2 -53.7 28.4 41.3 85 86 A A T 34 S+ 0 0 71 178,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.647 118.6 26.9 -78.5 -16.1 -54.3 28.3 45.1 86 87 A V T <4 S+ 0 0 108 -3,-1.7 2,-0.4 1,-0.3 -2,-0.2 0.720 128.1 33.2-112.2 -38.5 -50.6 28.8 45.6 87 88 A T S < S- 0 0 61 -4,-3.6 -1,-0.3 -16,-0.0 2,-0.3 -0.979 74.7-124.9-130.1 134.0 -49.4 30.7 42.5 88 89 A D - 0 0 72 -2,-0.4 3,-0.2 1,-0.1 -3,-0.1 -0.600 20.2-173.4 -75.0 133.9 -51.2 33.2 40.3 89 90 A V > + 0 0 27 -2,-0.3 3,-1.3 1,-0.1 4,-0.2 0.021 48.5 114.9-118.4 24.9 -51.2 32.1 36.6 90 91 A R G > + 0 0 122 1,-0.3 3,-1.9 2,-0.2 -1,-0.1 0.853 68.9 62.2 -63.7 -37.8 -52.6 35.2 35.1 91 92 A D G 3 S+ 0 0 56 1,-0.3 -1,-0.3 -3,-0.2 3,-0.1 0.428 87.8 73.6 -74.8 3.2 -49.5 36.1 33.2 92 93 A N G < S+ 0 0 58 -3,-1.3 162,-2.4 1,-0.2 2,-1.6 0.553 71.1 89.9 -87.7 -10.7 -49.8 32.8 31.2 93 94 A A S < S+ 0 0 27 -3,-1.9 2,-0.3 160,-0.2 -1,-0.2 -0.334 74.8 83.9 -81.2 53.2 -52.7 34.4 29.3 94 95 A V S S- 0 0 37 -2,-1.6 2,-0.3 158,-0.2 160,-0.3 -0.975 92.5 -96.7-148.2 148.8 -50.3 35.7 26.7 95 96 A W + 0 0 18 -2,-0.3 107,-1.5 158,-0.1 2,-0.3 -0.555 61.8 153.8 -68.1 126.8 -48.8 34.1 23.7 96 97 A H B -I 252 0B 12 156,-1.5 156,-2.5 -2,-0.3 2,-0.4 -0.998 45.4-141.8-155.0 152.0 -45.4 32.8 24.6 97 98 A T > - 0 0 3 -2,-0.3 3,-1.0 154,-0.2 154,-0.1 -0.974 52.0 -96.4-111.5 133.9 -42.7 30.2 24.0 98 99 A D T 3 S- 0 0 30 -2,-0.4 8,-0.2 1,-0.2 105,-0.0 -0.193 85.8 -22.8 -62.6 134.9 -41.1 29.0 27.2 99 100 A V T > S+ 0 0 47 1,-0.2 3,-1.7 6,-0.1 -1,-0.2 0.746 72.9 157.2 39.9 44.7 -37.9 30.6 28.5 100 101 A T T < + 0 0 0 -3,-1.0 -1,-0.2 1,-0.3 50,-0.1 0.581 64.9 74.0 -73.1 -7.1 -36.7 31.9 25.1 101 102 A F T 3 S+ 0 0 24 3,-0.1 -1,-0.3 48,-0.1 51,-0.1 0.584 83.2 90.3 -78.0 -9.1 -34.6 34.4 27.0 102 103 A L S < S- 0 0 50 -3,-1.7 76,-0.1 1,-0.1 79,-0.0 -0.560 87.3-123.3 -85.2 151.6 -32.3 31.5 27.8 103 104 A P S S+ 0 0 75 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.830 112.9 28.7 -60.1 -32.9 -29.4 30.5 25.6 104 105 A T S S- 0 0 68 170,-0.2 168,-0.6 -5,-0.1 170,-0.2 -0.682 87.9-159.0-131.3 79.3 -30.9 27.1 25.5 105 106 A P - 0 0 0 0, 0.0 -6,-0.1 0, 0.0 -5,-0.1 -0.140 40.7 -73.3 -54.5 152.2 -34.8 27.4 25.8 106 107 A A - 0 0 10 -8,-0.2 165,-0.2 165,-0.1 3,-0.1 -0.095 31.0-139.9 -51.4 140.7 -36.7 24.2 26.9 107 108 A L - 0 0 22 163,-2.7 140,-1.7 1,-0.3 141,-0.8 0.876 68.4 -67.9 -67.9 -38.5 -37.1 21.4 24.4 108 109 A G E -GH 246 270A 1 162,-1.3 162,-2.9 138,-0.3 2,-0.3 -0.974 48.7-112.1 172.6-166.5 -40.6 20.9 25.5 109 110 A A E -GH 245 269A 1 136,-1.2 136,-1.7 -2,-0.3 2,-0.5 -0.993 7.6-135.8-153.2 154.2 -42.8 19.8 28.4 110 111 A V E -GH 244 268A 1 158,-2.3 158,-2.0 -2,-0.3 2,-0.4 -0.981 29.7-162.8-111.2 124.0 -45.1 17.0 29.5 111 112 A L E -GH 243 267A 16 132,-3.4 132,-2.4 -2,-0.5 2,-0.5 -0.896 5.4-158.7-115.7 138.2 -48.2 18.4 31.3 112 113 A S E -GH 242 266A 1 154,-2.5 154,-1.9 -2,-0.4 2,-0.9 -0.950 14.0-138.6-120.7 127.8 -50.6 16.6 33.5 113 114 A A E + H 0 265A 0 128,-2.3 127,-3.1 -2,-0.5 152,-0.2 -0.729 35.4 157.8 -86.8 105.3 -54.2 17.7 34.4 114 115 A K E + 0 0 52 150,-1.8 2,-0.5 -2,-0.9 151,-0.2 0.937 65.3 10.8 -91.2 -62.9 -54.7 16.9 38.1 115 116 A Q E S- H 0 264A 77 149,-1.7 149,-2.8 124,-0.1 -1,-0.3 -0.985 72.6-174.6-127.1 122.8 -57.5 19.1 39.4 116 117 A L - 0 0 29 -2,-0.5 147,-0.1 147,-0.2 146,-0.1 -0.869 26.5-114.6-120.0 149.8 -59.7 21.1 37.0 117 118 A P - 0 0 14 0, 0.0 3,-0.1 0, 0.0 146,-0.0 -0.394 47.5 -96.6 -68.2 157.0 -62.5 23.6 37.3 118 119 A A S S- 0 0 104 1,-0.1 2,-0.3 140,-0.1 -2,-0.0 0.891 100.2 -24.5 -41.5 -49.2 -65.9 22.5 36.0 119 120 A Y S S+ 0 0 94 139,-0.1 -1,-0.1 119,-0.0 720,-0.1 -0.961 101.1 62.1-158.0 175.2 -65.0 24.2 32.8 120 121 A G + 0 0 9 718,-0.5 117,-0.2 -2,-0.3 138,-0.1 -0.272 51.3 101.2 90.5 173.2 -62.9 27.0 31.3 121 122 A G + 0 0 1 1,-0.1 135,-0.1 -2,-0.1 116,-0.0 0.725 49.8 175.5 85.5 24.0 -59.1 27.2 31.4 122 123 A D - 0 0 2 132,-0.1 133,-2.3 114,-0.1 2,-0.4 -0.123 19.9-143.0 -56.0 156.3 -58.4 26.1 27.8 123 124 A T E -JK 235 254B 7 112,-1.6 112,-3.1 131,-0.2 2,-0.3 -0.992 11.4-156.9-123.9 136.5 -54.9 26.1 26.5 124 125 A L E -JK 234 253B 14 129,-2.5 129,-2.0 -2,-0.4 2,-0.3 -0.834 3.3-162.5-109.7 148.9 -54.0 27.0 22.9 125 126 A W E -JK 233 252B 1 108,-2.0 108,-2.1 -2,-0.3 2,-0.4 -0.973 2.7-162.0-125.9 146.1 -51.0 26.1 20.8 126 127 A A E -JK 232 251B 1 125,-2.5 125,-1.6 -2,-0.3 2,-0.6 -0.986 18.2-126.3-128.6 141.4 -49.7 27.8 17.6 127 128 A S E > - K 0 250B 1 104,-3.1 4,-2.2 -2,-0.4 123,-0.2 -0.744 12.1-168.2 -91.3 119.2 -47.3 26.4 15.0 128 129 A G H > S+ 0 0 4 121,-2.9 4,-2.2 -2,-0.6 69,-2.0 0.815 93.0 55.5 -67.1 -30.3 -44.2 28.4 14.1 129 130 A I H > S+ 0 0 2 120,-0.7 4,-2.5 67,-0.3 5,-0.2 0.974 111.6 38.8 -66.2 -57.1 -43.7 26.0 11.2 130 131 A A H > S+ 0 0 15 -120,-0.3 4,-1.5 1,-0.2 -2,-0.2 0.904 116.6 53.3 -60.9 -41.9 -47.1 26.5 9.7 131 132 A A H X S+ 0 0 0 -4,-2.2 4,-0.6 1,-0.2 -1,-0.2 0.906 111.0 45.8 -59.9 -43.6 -47.0 30.2 10.5 132 133 A F H >< S+ 0 0 16 -4,-2.2 3,-1.0 1,-0.2 -2,-0.2 0.907 109.6 54.0 -67.5 -42.5 -43.7 30.6 8.7 133 134 A E H 3< S+ 0 0 115 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.791 106.0 54.6 -61.2 -27.8 -44.7 28.6 5.7 134 135 A A H 3< S+ 0 0 52 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.603 85.3 101.6 -86.2 -13.2 -47.8 30.8 5.2 135 136 A L S << S- 0 0 2 -3,-1.0 5,-0.0 -4,-0.6 352,-0.0 -0.362 87.2 -94.4 -64.2 151.7 -45.7 34.0 5.1 136 137 A S > - 0 0 24 1,-0.1 4,-2.3 4,-0.0 3,-0.3 -0.317 35.3-111.0 -63.4 152.8 -45.2 35.5 1.7 137 138 A A H > S+ 0 0 35 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.930 116.5 50.5 -51.9 -54.3 -41.9 34.5 -0.1 138 139 A P H > S+ 0 0 20 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.842 112.3 49.0 -57.8 -32.1 -40.3 38.0 0.1 139 140 A L H > S+ 0 0 0 -3,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.871 111.6 48.3 -74.3 -37.5 -41.1 38.1 3.9 140 141 A R H X S+ 0 0 87 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.923 111.2 51.3 -65.4 -44.3 -39.7 34.7 4.4 141 142 A E H < S+ 0 0 146 -4,-3.2 -2,-0.2 1,-0.2 -1,-0.2 0.884 113.0 45.6 -59.7 -40.2 -36.5 35.6 2.5 142 143 A M H < S+ 0 0 16 -4,-1.7 4,-0.3 -5,-0.2 -1,-0.2 0.909 116.8 42.0 -71.4 -43.1 -36.1 38.8 4.6 143 144 A L H >< S+ 0 0 0 -4,-2.2 3,-1.9 2,-0.1 2,-0.6 0.862 90.6 90.9 -76.8 -37.1 -36.7 37.2 8.0 144 145 A D T 3< S+ 0 0 60 -4,-2.5 3,-0.1 1,-0.3 43,-0.1 -0.472 98.1 23.3 -64.6 110.7 -34.7 34.0 7.5 145 146 A G T 3 S+ 0 0 59 -2,-0.6 -1,-0.3 1,-0.5 -2,-0.1 -0.073 97.3 113.0 121.8 -32.2 -31.2 35.0 8.7 146 147 A L < - 0 0 16 -3,-1.9 39,-2.9 -4,-0.3 40,-0.5 -0.245 55.7-139.8 -69.1 160.6 -32.2 37.8 11.0 147 148 A T E -L 184 0C 42 37,-0.3 61,-1.6 38,-0.1 62,-0.6 -0.884 9.6-154.4-123.9 155.6 -31.9 37.6 14.8 148 149 A A E -LM 183 207C 0 35,-2.9 35,-2.0 -2,-0.3 2,-0.4 -0.978 16.5-122.9-133.6 143.2 -34.1 38.8 17.6 149 150 A T E -LM 182 206C 25 57,-3.0 56,-2.3 -2,-0.4 57,-1.0 -0.676 22.1-161.5 -83.5 133.4 -33.5 39.8 21.2 150 151 A H E -LM 181 204C 0 31,-3.3 31,-1.8 -2,-0.4 2,-0.4 -0.964 10.9-180.0-117.2 135.2 -35.3 37.9 23.9 151 152 A D > - 0 0 16 52,-2.6 3,-2.0 -2,-0.4 4,-0.4 -0.975 28.6-149.1-144.0 120.3 -35.7 39.4 27.4 152 153 A F G >> S+ 0 0 12 -2,-0.4 4,-2.2 26,-0.4 3,-1.0 0.735 93.4 73.9 -63.1 -21.5 -37.4 38.0 30.5 153 154 A T G 34 S+ 0 0 23 1,-0.3 -1,-0.3 2,-0.2 5,-0.1 0.588 81.8 70.8 -70.8 -8.5 -38.2 41.5 31.7 154 155 A K G <4 S+ 0 0 82 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.870 114.0 25.8 -73.0 -35.4 -40.9 41.7 29.0 155 156 A S T <4 S+ 0 0 21 -3,-1.0 -2,-0.2 -4,-0.4 -1,-0.2 0.672 131.3 44.3 -95.5 -22.7 -43.0 39.2 30.9 156 157 A F S < S+ 0 0 55 -4,-2.2 -1,-0.2 15,-0.0 -2,-0.1 -0.560 80.4 176.6-121.7 67.0 -41.4 40.1 34.3 157 158 A P >> - 0 0 33 0, 0.0 3,-1.3 0, 0.0 4,-0.5 -0.079 47.6 -97.9 -64.5 169.8 -41.3 44.0 34.3 158 159 A L H >> S+ 0 0 30 1,-0.3 4,-1.5 2,-0.2 3,-1.0 0.835 122.7 58.6 -58.3 -34.7 -40.1 45.9 37.3 159 160 A E H 34 S+ 0 0 143 1,-0.2 -1,-0.3 2,-0.2 4,-0.1 0.679 95.5 62.5 -72.5 -17.8 -43.7 46.5 38.4 160 161 A R H <4 S+ 0 0 101 -3,-1.3 -1,-0.2 1,-0.1 -2,-0.2 0.657 105.6 47.7 -80.9 -15.6 -44.4 42.7 38.7 161 162 A F H << S- 0 0 66 -3,-1.0 2,-0.2 -4,-0.5 -2,-0.2 0.922 120.9 -81.6 -85.5 -55.3 -41.8 42.4 41.4 162 163 A G < - 0 0 17 -4,-1.5 -1,-0.2 5,-0.1 -2,-0.1 -0.798 17.8-110.7 159.0 160.0 -42.8 45.3 43.7 163 164 A T S S+ 0 0 145 -2,-0.2 -4,-0.1 -4,-0.1 -1,-0.1 0.381 84.3 104.4 -92.8 2.7 -42.5 49.1 44.2 164 165 A T S >> S- 0 0 46 1,-0.1 4,-1.5 -3,-0.0 3,-0.6 -0.552 82.4-116.3 -86.5 151.5 -40.2 48.6 47.2 165 166 A P H 3> S+ 0 0 81 0, 0.0 4,-1.3 0, 0.0 -1,-0.1 0.799 115.2 48.7 -55.5 -36.2 -36.5 49.2 47.1 166 167 A Q H 3> S+ 0 0 99 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.759 107.3 54.7 -79.4 -25.9 -35.6 45.6 47.8 167 168 A D H <> S+ 0 0 27 -3,-0.6 4,-1.3 2,-0.2 -1,-0.2 0.796 107.6 52.7 -70.4 -29.2 -38.0 44.3 45.1 168 169 A L H X S+ 0 0 16 -4,-1.5 4,-1.6 2,-0.2 -2,-0.2 0.858 108.1 49.1 -72.6 -37.6 -36.1 46.6 42.8 169 170 A A H X S+ 0 0 43 -4,-1.3 4,-1.9 2,-0.2 -2,-0.2 0.856 108.2 54.0 -70.5 -36.4 -32.8 45.1 43.8 170 171 A R H X S+ 0 0 131 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.861 108.1 51.0 -62.3 -36.9 -34.2 41.6 43.3 171 172 A W H X S+ 0 0 16 -4,-1.3 4,-1.1 1,-0.2 -2,-0.2 0.859 110.9 47.2 -70.6 -36.5 -35.2 42.7 39.7 172 173 A E H X S+ 0 0 17 -4,-1.6 4,-1.5 2,-0.2 -2,-0.2 0.830 112.2 51.8 -71.5 -32.5 -31.7 44.0 39.0 173 174 A A H X S+ 0 0 47 -4,-1.9 4,-1.4 2,-0.2 -2,-0.2 0.907 110.9 44.3 -72.6 -44.7 -30.2 40.8 40.4 174 175 A T H X S+ 0 0 47 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.762 110.9 57.7 -70.8 -25.4 -32.2 38.4 38.3 175 176 A R H < S+ 0 0 30 -4,-1.1 -2,-0.2 2,-0.2 -1,-0.2 0.873 101.9 54.3 -69.6 -38.8 -31.6 40.6 35.3 176 177 A R H < S+ 0 0 169 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.890 111.4 45.0 -61.8 -40.3 -27.8 40.2 35.8 177 178 A N H < S+ 0 0 122 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.822 123.6 35.5 -72.6 -32.8 -28.2 36.4 35.7 178 179 A N S < S+ 0 0 47 -4,-1.6 -26,-0.4 -5,-0.1 -1,-0.3 -0.569 79.3 174.6-122.2 68.1 -30.6 36.6 32.7 179 180 A P - 0 0 70 0, 0.0 -29,-0.1 0, 0.0 -3,-0.1 -0.298 46.6 -81.7 -69.1 159.2 -29.4 39.4 30.5 180 181 A P + 0 0 53 0, 0.0 2,-0.3 0, 0.0 -29,-0.2 -0.355 59.4 173.3 -59.5 139.4 -31.1 40.0 27.1 181 182 A L E -L 150 0C 43 -31,-1.8 -31,-3.3 -3,-0.1 2,-0.3 -0.856 22.8-106.4-140.9 179.3 -29.7 37.7 24.4 182 183 A S E +L 149 0C 59 -2,-0.3 -33,-0.2 -33,-0.2 -35,-0.0 -0.770 22.8 176.9-117.8 153.9 -30.4 36.7 20.8 183 184 A H E -L 148 0C 11 -35,-2.0 -35,-2.9 -2,-0.3 93,-0.1 -0.967 45.4 -84.8-141.9 156.1 -31.9 33.8 18.8 184 185 A P E -L 147 0C 23 0, 0.0 -37,-0.3 0, 0.0 3,-0.2 -0.346 29.0-137.3 -59.9 143.3 -32.6 33.4 15.0 185 186 A V S S+ 0 0 0 -39,-2.9 13,-2.8 -42,-0.3 2,-0.6 0.824 101.3 42.0 -70.6 -33.1 -35.9 34.9 13.9 186 187 A V E S-N 197 0D 3 -40,-0.5 2,-0.4 -43,-0.3 -1,-0.3 -0.925 87.6-157.5-115.6 104.4 -36.4 31.8 11.8 187 188 A R E -N 196 0D 0 9,-2.4 9,-1.8 -2,-0.6 2,-0.6 -0.652 9.6-141.1 -89.0 133.3 -35.4 28.7 13.7 188 189 A T E -N 195 0D 31 88,-2.8 88,-0.5 -2,-0.4 7,-0.2 -0.820 31.6-113.7 -87.8 123.0 -34.4 25.4 12.1 189 190 A H > - 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